Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 1529884
Preview
| Coordinates | 1529884.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C26 H20 N2 |
|---|---|
| Calculated formula | C26 H20 N2 |
| SMILES | n1c(cc(c(c1n1ccc2c1cccc2)C)c1ccccc1)c1ccccc1 |
| Title of publication | Base-Promoted N-Pyridylation of Heteroarenes Using N-Propargyl Enaminones as Equivalents of Pyridine Scaffolds. |
| Authors of publication | Cheng, Guolin; Weng, Yunxiang; Yang, Xifa; Cui, Xiuling |
| Journal of publication | Organic letters |
| Year of publication | 2015 |
| Journal volume | 17 |
| Journal issue | 15 |
| Pages of publication | 3790 - 3793 |
| a | 21.3348 ± 0.0007 Å |
| b | 10.673 ± 0.0002 Å |
| c | 18.3612 ± 0.0006 Å |
| α | 90° |
| β | 110.777 ± 0.004° |
| γ | 90° |
| Cell volume | 3909.1 ± 0.2 Å3 |
| Cell temperature | 291 ± 2 K |
| Ambient diffraction temperature | 291.15 K |
| Number of distinct elements | 3 |
| Space group number | 15 |
| Hermann-Mauguin space group symbol | C 1 2/c 1 |
| Hall space group symbol | -C 2yc |
| Residual factor for all reflections | 0.0512 |
| Residual factor for significantly intense reflections | 0.0406 |
| Weighted residual factors for significantly intense reflections | 0.1105 |
| Weighted residual factors for all reflections included in the refinement | 0.119 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.045 |
| Diffraction radiation wavelength | 1.54184 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 154535 (current) | 2015-09-05 | cif/ Adding structures of 1529884 via cif-deposit CGI script. |
1529884.cif |
All data in the COD and the database itself are dedicated to the
public domain and licensed under the
CC0
License
.
Users of the data should acknowledge the original authors of the
structural data.